3-(chloromethyl)pyridazine

C5H5ClN2 — CID 14239712

IUPAC3-(chloromethyl)pyridazine
SMILESClCc1cccnn1
InChIInChI=1S/C5H5ClN2/c6-4-5-2-1-3-7-8-5/h1-3H,4H2
InChIKeyTWCGCUQPXQOQCA-UHFFFAOYSA-N
MW128.56 g/mol
LogP1.22
Rot. Bonds1

About 3-(chloromethyl)pyridazine

3-(chloromethyl)pyridazine (PubChem CID 14239712) has the molecular formula C5H5ClN2 and a molecular weight of 128.56 g/mol. Its IUPAC name is 3-(chloromethyl)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)pyridazine
PubChem CID14239712
Molecular FormulaC5H5ClN2
Molecular Weight128.56 g/mol
Exact Mass128.01
IUPAC Name3-(chloromethyl)pyridazine
SMILESClCc1cccnn1
InChIInChI=1S/C5H5ClN2/c6-4-5-2-1-3-7-8-5/h1-3H,4H2
InChIKeyTWCGCUQPXQOQCA-UHFFFAOYSA-N
XLogP1.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.56
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)pyridazine?
The IUPAC name of 3-(chloromethyl)pyridazine (CID 14239712) is 3-(chloromethyl)pyridazine.
What is the SMILES notation for 3-(chloromethyl)pyridazine?
The canonical SMILES for 3-(chloromethyl)pyridazine is ClCc1cccnn1.
What is the InChIKey of 3-(chloromethyl)pyridazine?
The InChIKey is TWCGCUQPXQOQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2/c6-4-5-2-1-3-7-8-5/h1-3H,4H2.
What are the key properties of 3-(chloromethyl)pyridazine?
3-(chloromethyl)pyridazine has a molecular weight of 128.56 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)pyridazine is sourced from PubChem (CID 14239712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).